Detailed information for compound 1454554

Basic information

Technical information
  • TDR Targets ID: 1454554
  • Name: N-[2-[(2-methoxyphenyl)carbamoyl]phenyl]pyrid ine-2-carboxamide
  • MW: 347.367 | Formula: C20H17N3O3
  • H donors: 2 H acceptors: 3 LogP: 3.38 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccccc1NC(=O)c1ccccc1NC(=O)c1ccccn1
  • InChi: 1S/C20H17N3O3/c1-26-18-12-5-4-10-16(18)23-19(24)14-8-2-3-9-15(14)22-20(25)17-11-6-7-13-21-17/h2-13H,1H3,(H,22,25)(H,23,24)
  • InChiKey: MPFDGLWJHBCRRI-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[2-[[(2-methoxyphenyl)amino]-oxomethyl]phenyl]-2-pyridinecarboxamide
  • N-[2-[(2-methoxyphenyl)carbamoyl]phenyl]picolinamide
  • Oprea1_274482
  • ZINC00127341
  • ST015568

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.1139 0.1072
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0126 0.0052
Mycobacterium leprae Probable polyketide synthase Pks1 0.0055 0.1776 0.6337
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD 0.0052 0.1629 0.581
Toxoplasma gondii LsmAD domain-containing protein 0.0028 0.0525 0.0537
Mycobacterium ulcerans polyketide synthase Pks13 0.0077 0.2803 1
Loa Loa (eye worm) transcription factor SMAD2 0.0235 1 1
Mycobacterium tuberculosis Probable polyketide synthase Pks15 0.0021 0.0214 0.0765
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0048 0.1473 0.5254
Loa Loa (eye worm) hypothetical protein 0.0087 0.3243 0.3157
Mycobacterium tuberculosis Probable thioesterase TesA 0.0043 0.1233 0.4398
Mycobacterium ulcerans multifunctional mycocerosic acid synthase membrane-associated Mas 0.0055 0.1776 0.6337
Brugia malayi Beta-ketoacyl synthase, N-terminal domain containing protein 0.0052 0.1629 0.1566
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.0052 0.1629 0.581
Plasmodium falciparum ataxin-2 like protein, putative 0.0028 0.0525 0.5
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0055 0.1776 0.6337
Schistosoma mansoni tar DNA-binding protein 0.0194 0.8148 1
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.0052 0.1629 0.581
Brugia malayi RNA binding protein 0.0194 0.8148 0.8135
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC 0.0055 0.1776 0.6337
Loa Loa (eye worm) acyl carrier protein 0.0024 0.0346 0.0222
Loa Loa (eye worm) hypothetical protein 0.0028 0.0525 0.0404
Mycobacterium ulcerans polyketide synthase Pks9 0.0034 0.0824 0.2941
Mycobacterium tuberculosis Probable polyketide synthase Pks1 0.0037 0.096 0.3424
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA 0.0052 0.1629 0.581
Mycobacterium tuberculosis Polyketide synthetase MbtC (polyketide synthase) 0.0018 0.007 0.0251
Mycobacterium ulcerans polyketide synthase 0.0052 0.1629 0.581
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.2011 0.1951
Schistosoma mansoni hypothetical protein 0.0041 0.1139 0.1262
Loa Loa (eye worm) hypothetical protein 0.0041 0.1139 0.1025
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsB 0.0042 0.1165 0.4155
Mycobacterium tuberculosis Probable polyketide synthase Pks9 0.0029 0.0604 0.2155
Loa Loa (eye worm) TAR-binding protein 0.0194 0.8148 0.8125
Toxoplasma gondii type I fatty acid synthase, putative 0.0055 0.1776 1
Mycobacterium tuberculosis Probable polyketide synthase Pks5 0.005 0.1556 0.5551
Brugia malayi AMP-binding enzyme family protein 0.0048 0.1473 0.1408
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.0042 0.1165 0.4155
Trypanosoma cruzi PAB1-binding protein , putative 0.0028 0.0525 0.5
Mycobacterium tuberculosis Probable polyketide synthase Pks8 0.0042 0.1196 0.4267
Leishmania major hypothetical protein, conserved 0.0028 0.0525 0.5
Mycobacterium tuberculosis Polyketide synthase Pks12 0.0055 0.1776 0.6337
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0052 0.1629 0.581
Onchocerca volvulus 0.009 0.3387 0.9285
Mycobacterium tuberculosis Probable polyketide synthase Pks7 0.0055 0.1776 0.6337
Brugia malayi RNA recognition motif domain containing protein 0.0194 0.8148 0.8135
Mycobacterium ulcerans Type I modular polyketide synthase 0.0052 0.1629 0.581
Schistosoma mansoni tar DNA-binding protein 0.0194 0.8148 1
Mycobacterium leprae Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas 0.0055 0.1776 0.6337
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.2011 0.1951
Plasmodium falciparum ataxin-2 like protein, putative 0.0028 0.0525 0.5
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.2011 0.1909
Mycobacterium ulcerans Type I modular polyketide synthase 0.0052 0.1629 0.581
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB 0.0042 0.1165 0.4155
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsE 0.0034 0.0824 0.2941
Mycobacterium ulcerans thioesterase TesA 0.0043 0.1233 0.4398
Toxoplasma gondii beta-ketoacyl synthase, N-terminal domain-containing protein 0.0034 0.0795 0.2574
Trypanosoma brucei PAB1-binding protein , putative 0.0028 0.0525 0.5
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSE 0.0034 0.0824 0.2941
Schistosoma mansoni tar DNA-binding protein 0.0194 0.8148 1
Schistosoma mansoni tar DNA-binding protein 0.0194 0.8148 1
Mycobacterium tuberculosis Probable membrane bound polyketide synthase Pks6 0.0077 0.2803 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0028 0.0525 0.5
Mycobacterium ulcerans Type I modular polyketide synthase 0.0052 0.1629 0.581
Brugia malayi TAR-binding protein 0.0194 0.8148 0.8135
Brugia malayi oxidoreductase, zinc-binding dehydrogenase family protein 0.0098 0.3755 0.3708
Echinococcus multilocularis tar DNA binding protein 0.0194 0.8148 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0235 1 1
Mycobacterium leprae PROBABLE THIOESTERASE TESA 0.0043 0.1233 0.4398
Loa Loa (eye worm) hypothetical protein 0.0029 0.0585 0.0464
Loa Loa (eye worm) fatty acid synthase 0.0051 0.1597 0.1489
Loa Loa (eye worm) RNA binding protein 0.0194 0.8148 0.8125
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0126 0.0052
Mycobacterium tuberculosis Polyketide synthase Pks2 0.005 0.1556 0.5551
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0048 0.1473 0.1363
Mycobacterium leprae Polyketide synthase Pks13 0.0077 0.2803 1
Mycobacterium ulcerans thioesterase 0.0043 0.1233 0.4398
Loa Loa (eye worm) hypothetical protein 0.006 0.2011 0.1909
Mycobacterium tuberculosis Polyketide synthase Pks13 0.0077 0.2803 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0194 0.8148 0.8125
Brugia malayi hypothetical protein 0.0028 0.0525 0.0454
Mycobacterium tuberculosis Probable multifunctional mycocerosic acid synthase membrane-associated Mas 0.0055 0.1776 0.6337
Echinococcus granulosus tar DNA binding protein 0.0194 0.8148 1
Onchocerca volvulus Fatty acid synthase homolog 0.0093 0.3535 1
Plasmodium vivax ataxin-2 like protein, putative 0.0028 0.0525 0.5
Mycobacterium ulcerans polyketide synthase 0.0055 0.1776 0.6337
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.0052 0.1629 0.581
Toxoplasma gondii type I fatty acid synthase, putative 0.0037 0.0944 0.3708
Schistosoma mansoni tar DNA-binding protein 0.0194 0.8148 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 3.9811 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.526 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS Assay for Activators of ClpP. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.0929 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 44.6684 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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